Geometry & MOs

Info

ID:

428158

PubChem CID:

135166302

Reduced:

ClSO4C34H41 (1)

Stoich.:

ABC4D34E41 (1)

Weight, g/mol:

906.306871

ΔHf, kcal/mol:

-52.57

Dipole, Da:

3.47

IP(EA), eV:

 -7.09(-0.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-dibenzothiophen-1-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-4'-amine

Drug info:

PubChemData

Smile

CC(C)(C(CCC#CS(C)(C)C)C1=CC(=C(C=C1)Cl)COCC2=CC=C(C=C2)OC)C(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations